Optical sensing system for ATP using porphyrin-alkaloid conjugates.
Tetrabrucin-porphyrin as a sensor for ATP was designed and tested; selectivity for ATP was proved in the presence of ADP and AMP.
Adenosine Triphosphate↗
Biomedical subjects
David Michalík
Publications and source records attributed to David Michalík.
Empirical solvent correction for multiple amide group vibrational modes.
Previously proposed solvent correction to the amide I peptide vibration was extended so that it can be applied to a general solvated chromophore. The combined molecular and quantum mechanics (MMQM) method is based on a linear dependence of harmonic force field and intensity tensor components of the solute on solvent electrostatic field. For N-methylacetamide, realistic solvent frequency and intensity changes as well as inhomogeneous band widths were obtained for amide A, I, II , and III modes. A rather anomalous basis set size dependence was observed for the amide A and I vibrations, when bigger basis lead to narrowing of spectral bands and lesser molecular sensibility to the environment. For a model alpha-helical peptide, a W-shape of the vibrational circular dichroism signal observed in deuterated solvent for the amide I band was reproduced correctly, unlike with previous vacuum models.
Journal Article↗